Compound Detail
CHEMBL4539395
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4539395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEIGLLZCPLOVEA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.74
ALogP
6
HBA
1
HBD
77.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 9.09 | 9.09 | 0.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 0.82 | nM | 9.09 | Inhibition of Tie-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay | 30616052 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.15 | nM | 8.38 | Inhibition of VEGFR-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay | 30616052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30616052 | 10.1016/j.ejmech.2018.12.067 | EA.hy 926 | 2 |
| 30616052 | 10.1016/j.ejmech.2018.12.067 | Vascular endothelial growth factor receptor 2 | 1 |
| 30616052 | 10.1016/j.ejmech.2018.12.067 | Angiopoietin-1 receptor | 1 |
| 30616052 | 10.1016/j.ejmech.2018.12.067 | Ephrin type-B receptor 4 | 1 |
Data from ChEMBL 36 via Core Engine